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Home > Boronic Acids > 2096339-76-1
2096339-76-1 | (6-chloro-2-(trifluoromethyl)pyridin-3-yl)boronic acid
CAS No: 2096339-76-1 Catalog No: AG01DTFO MDL No:
Product Description
Catalog Number:
AG01DTFO
Chemical Name:
(6-chloro-2-(trifluoromethyl)pyridin-3-yl)boronic acid
CAS Number:
2096339-76-1
Molecular Formula:
C6H4BClF3NO2
Molecular Weight:
225.3607
IUPAC Name:
[6-chloro-2-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H4BClF3NO2/c8-4-2-1-3(7(13)14)5(12-4)6(9,10)11/h1-2,13-14H
InChI Key:
OLRXJTUODFYILY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1C(F)(F)F)Cl)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.358g/mol
Monoisotopic Mass:
224.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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